4-tert-butyl-N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide

C24H25FN2O3S — CID 21002100

IUPAC4-tert-butyl-N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC(c2cccnc2)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H25FN2O3S/c1-24(2,3)19-8-6-17(7-9-19)23(28)27-16-22(18-5-4-14-26-15-18)31(29,30)21-12-10-20(25)11-13-21/h4-15,22H,16H2,1-3H3,(H,27,28)
InChIKeyPLAYSJDMXNLPBM-UHFFFAOYSA-N
MW440.54 g/mol
LogP4.46
Rot. Bonds6

About 4-tert-butyl-N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide

4-tert-butyl-N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide (PubChem CID 21002100) has the molecular formula C24H25FN2O3S and a molecular weight of 440.54 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
PubChem CID21002100
Molecular FormulaC24H25FN2O3S
Molecular Weight440.54 g/mol
Exact Mass440.16
IUPAC Name4-tert-butyl-N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC(c2cccnc2)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H25FN2O3S/c1-24(2,3)19-8-6-17(7-9-19)23(28)27-16-22(18-5-4-14-26-15-18)31(29,30)21-12-10-20(25)11-13-21/h4-15,22H,16H2,1-3H3,(H,27,28)
InChIKeyPLAYSJDMXNLPBM-UHFFFAOYSA-N
XLogP4.46
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 9155547
4-fluoro-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 9156809
N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2,2-dimethylpropanamide
CID 21002091
4-tert-butyl-N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 21007693
2-fluoro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 9155660
N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide
CID 9155700
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]benzamide
CID 9153361
N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2-phenylacetamide
CID 21002113
N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methoxybenzamide
CID 21002101
N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-3-carboxamide
CID 9157955
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]pyridine-4-carboxamide
CID 9153775
N-[2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 21002140

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide (CID 21002100) is 4-tert-butyl-N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide is CC(C)(C)c1ccc(C(=O)NCC(c2cccnc2)S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide?
The InChIKey is PLAYSJDMXNLPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O3S/c1-24(2,3)19-8-6-17(7-9-19)23(28)27-16-22(18-5-4-14-26-15-18)31(29,30)21-12-10-20(25)11-13-21/h4-15,22H,16H2,1-3H3,(H,27,28).
What are the key properties of 4-tert-butyl-N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide?
4-tert-butyl-N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide has a molecular weight of 440.54 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide is sourced from PubChem (CID 21002100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).